3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C15H21N3OS — CID 82102961

IUPAC3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H21N3OS/c1-2-19-11-5-8-16-10-7-15-18-14(12-20-15)13-6-3-4-9-17-13/h3-4,6,9,12,16H,2,5,7-8,10-11H2,1H3
InChIKeyRZHRFQNYJOBAKV-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.76
Rot. Bonds9

About 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine

3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 82102961) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID82102961
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H21N3OS/c1-2-19-11-5-8-16-10-7-15-18-14(12-20-15)13-6-3-4-9-17-13/h3-4,6,9,12,16H,2,5,7-8,10-11H2,1H3
InChIKeyRZHRFQNYJOBAKV-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 82102961) is 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCOCCCNCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is RZHRFQNYJOBAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-19-11-5-8-16-10-7-15-18-14(12-20-15)13-6-3-4-9-17-13/h3-4,6,9,12,16H,2,5,7-8,10-11H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82102961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).